(1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate

C20H14N2O4 — CID 14687057

IUPAC(1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate
SMILESCC(=O)Oc1c2c(=O)n(-c3ccccc3)c(=O)n-2ccc2ccccc12
InChIInChI=1S/C20H14N2O4/c1-13(23)26-18-16-10-6-5-7-14(16)11-12-21-17(18)19(24)22(20(21)25)15-8-3-2-4-9-15/h2-12H,1H3
InChIKeyHNAGWURNCZVYRL-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.50
Rot. Bonds2

About (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate

(1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate (PubChem CID 14687057) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate.

Molecular Properties

Compound Name(1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate
PubChem CID14687057
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name(1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate
SMILESCC(=O)Oc1c2c(=O)n(-c3ccccc3)c(=O)n-2ccc2ccccc12
InChIInChI=1S/C20H14N2O4/c1-13(23)26-18-16-10-6-5-7-14(16)11-12-21-17(18)19(24)22(20(21)25)15-8-3-2-4-9-15/h2-12H,1H3
InChIKeyHNAGWURNCZVYRL-UHFFFAOYSA-N
XLogP2.50
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
CID 19776662
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
(3-iodo-2-methylnaphthalen-1-yl) acetate
CID 118556797
[4-[(4-amino-1-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)carbamoyl]-2,6-dimethylphenyl] acetate
CID 45118864
[3-(4-bromobutyl)-2-oxo-1-phenyl-1,8-naphthyridin-4-yl] acetate
CID 71322085
(2,3-dihydroxynaphthalen-1-yl) acetate
CID 154088408
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687
[2-acetyloxy-3-[(4-amino-1-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)carbamoyl]phenyl] acetate
CID 45118880
(4-amino-1-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-(2,3-diacetyloxyphenyl)carbamic acid
CID 22922050
[2-bromo-6-(1-oxoisoquinolin-2-yl)phenyl]methyl acetate
CID 71036624
2-pyrimidin-2-ylisoquinolin-1-one
CID 132933193

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate?
The IUPAC name of (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate (CID 14687057) is (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate.
What is the SMILES notation for (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate?
The canonical SMILES for (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate is CC(=O)Oc1c2c(=O)n(-c3ccccc3)c(=O)n-2ccc2ccccc12.
What is the InChIKey of (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate?
The InChIKey is HNAGWURNCZVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-13(23)26-18-16-10-6-5-7-14(16)11-12-21-17(18)19(24)22(20(21)25)15-8-3-2-4-9-15/h2-12H,1H3.
What are the key properties of (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate?
(1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate has a molecular weight of 346.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxo-2-phenylimidazo[5,1-b][3]benzazepin-11-yl) acetate is sourced from PubChem (CID 14687057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).